N-[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-3-chloranyl-benzamide

Systemtic Name: N-[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-3-chloranyl-benzamide Openeye Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]-3-chloro-benzamide CAS Name: N-[3-[[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]thio]phenyl]-3-chlorobenzamide IUPAC Name: N-[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]-3-chlorobenzamide Traditional Name: N-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]thio]phenyl]-3-chloro-benzamide Formula: C23H19ClN2O4S MolecularWeight: 454.92596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=CC(=C3)NC(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=CC(=C3)NC(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H19ClN2O4S/c1-14(22(27)25-18-8-9-20-21(12-18)30-13-29-20)31-19-7-3-6-17(11-19)26-23(28)15-4-2-5-16(24)10-15/h2-12,14H,13H2,1H3,(H,25,27)(H,26,28)